4593-2847 Screening compound: 3-[(quinazolin-4-yl)amino]phenyl 3,4-dimethoxybenzoate

4593-2847 Screening compound: 3-[(quinazolin-4-yl)amino]phenyl 3,4-dimethoxybenzoate
4593-2847 Screening compound: 3-[(quinazolin-4-yl)amino]phenyl 3,4-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-2847
3-[(quinazolin-4-yl)amino]phenyl 3,4-dimethoxybenzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4593-2847

Molecular Formula

C23H19N3O4 (C23 H19 N3 O4)

Compound Name

3-[(quinazolin-4-yl)amino]phenyl 3,4-dimethoxybenzoate

IUPAC name

3-[(quinazolin-4-yl)amino]phenyl 34-dimethoxybenzoate

SMILES

COc(ccc(C(Oc1cc(Nc2ncnc3ccccc23)ccc1)=O)c1)c1OC

InChI

InChI=1S/C23H19N3O4/c1-28-20-11-10-15(12-21(20)29-2)23(27)30-17-7-5-6-16(13-17)26-22-18-8-3-4-9-19(18)24-14-25-22/h3-14H,1-2H3,(H,24,25,26)

InChI Key

QYCVDBLOBXNXBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02959064

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.189

Distribution Coefficient, logD

4.187

Water Solubility, LogSw

-4.52

Polar Surface Area

64.954

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

4593-2847 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4593-2847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-2847?
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What is the minimum amount of 4593-2847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-2847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-2847
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4593-2847 available by request